3-thiophen-3-yladamantane-1-carboxamide

C15H19NOS — CID 13164829

IUPAC3-thiophen-3-yladamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)CC(c1ccsc1)(C3)C2
InChIInChI=1S/C15H19NOS/c16-13(17)15-6-10-3-11(7-15)5-14(4-10,9-15)12-1-2-18-8-12/h1-2,8,10-11H,3-7,9H2,(H2,16,17)
InChIKeyOVIPPTYPNLAWAA-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.07
Rot. Bonds2

About 3-thiophen-3-yladamantane-1-carboxamide

3-thiophen-3-yladamantane-1-carboxamide (PubChem CID 13164829) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-thiophen-3-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3-thiophen-3-yladamantane-1-carboxamide
PubChem CID13164829
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-thiophen-3-yladamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)CC(c1ccsc1)(C3)C2
InChIInChI=1S/C15H19NOS/c16-13(17)15-6-10-3-11(7-15)5-14(4-10,9-15)12-1-2-18-8-12/h1-2,8,10-11H,3-7,9H2,(H2,16,17)
InChIKeyOVIPPTYPNLAWAA-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
azane;deuterioethane;methane;3-phenyladamantane-1-carboxamide;3-phenyladamantane-1-carboxylic acid
CID 158928866
3-[4-(3-carboxylato-1-adamantyl)phenyl]adamantane-1-carboxylate
CID 3417416
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
adamantane-1-carboxamide
CID 21686
3-[4-[4-(3-carboxy-1-adamantyl)phenyl]phenyl]adamantane-1-carboxylic acid
CID 14511576
3-aminoadamantane-1-carboxamide
CID 67083536
(2-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
(5R,7R)-3-(4-methoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)adamantane-1-carboxamide
CID 98140188
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
(5R,7R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98144224
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yladamantane-1-carboxamide?
The IUPAC name of 3-thiophen-3-yladamantane-1-carboxamide (CID 13164829) is 3-thiophen-3-yladamantane-1-carboxamide.
What is the SMILES notation for 3-thiophen-3-yladamantane-1-carboxamide?
The canonical SMILES for 3-thiophen-3-yladamantane-1-carboxamide is NC(=O)C12CC3CC(C1)CC(c1ccsc1)(C3)C2.
What is the InChIKey of 3-thiophen-3-yladamantane-1-carboxamide?
The InChIKey is OVIPPTYPNLAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c16-13(17)15-6-10-3-11(7-15)5-14(4-10,9-15)12-1-2-18-8-12/h1-2,8,10-11H,3-7,9H2,(H2,16,17).
What are the key properties of 3-thiophen-3-yladamantane-1-carboxamide?
3-thiophen-3-yladamantane-1-carboxamide has a molecular weight of 261.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yladamantane-1-carboxamide is sourced from PubChem (CID 13164829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).